[(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid

C23H25NO3 — CID 174226573

IUPAC[(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid
SMILESCC(C)c1cccc(-c2ccc3c(c2)CCC2(CC2)[C@]3(C=O)NC(=O)O)c1
InChIInChI=1S/C23H25NO3/c1-15(2)16-4-3-5-17(12-16)18-6-7-20-19(13-18)8-9-22(10-11-22)23(20,14-25)24-21(26)27/h3-7,12-15,24H,8-11H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyPWOIJQDNHNJGNJ-HSZRJFAPSA-N
MW363.46 g/mol
LogP4.87
Rot. Bonds4

About [(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid

[(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid (PubChem CID 174226573) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is [(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid
PubChem CID174226573
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name[(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid
SMILESCC(C)c1cccc(-c2ccc3c(c2)CCC2(CC2)[C@]3(C=O)NC(=O)O)c1
InChIInChI=1S/C23H25NO3/c1-15(2)16-4-3-5-17(12-16)18-6-7-20-19(13-18)8-9-22(10-11-22)23(20,14-25)24-21(26)27/h3-7,12-15,24H,8-11H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyPWOIJQDNHNJGNJ-HSZRJFAPSA-N
XLogP4.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-formyl-6-[4-(2-methylpropyl)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid
CID 174226631
[(1S)-6-(3-ethoxyphenyl)-1-formylspiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid
CID 174226395
[(1S)-1-formyl-6-[4-(trifluoromethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid
CID 174226399
[(1S)-2,2-dimethyl-6-(3-propan-2-ylphenyl)-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid
CID 174226543
2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde
CID 175665650
[(1S)-6-(3-ethylphenyl)-1-formyl-4H-naphthalen-1-yl]carbamic acid
CID 174226518
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene
CID 163504476
[6-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568904
N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]ethanamine
CID 63428245
4-fluoro-5-methyl-2-(3-propan-2-ylphenyl)benzoic acid
CID 172914147
2-[3-(3-propan-2-ylphenyl)phenyl]propan-2-ol
CID 170591106

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid?
The IUPAC name of [(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid (CID 174226573) is [(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid.
What is the SMILES notation for [(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid?
The canonical SMILES for [(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid is CC(C)c1cccc(-c2ccc3c(c2)CCC2(CC2)[C@]3(C=O)NC(=O)O)c1.
What is the InChIKey of [(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid?
The InChIKey is PWOIJQDNHNJGNJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25NO3/c1-15(2)16-4-3-5-17(12-16)18-6-7-20-19(13-18)8-9-22(10-11-22)23(20,14-25)24-21(26)27/h3-7,12-15,24H,8-11H2,1-2H3,(H,26,27)/t23-/m1/s1.
What are the key properties of [(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid?
[(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid has a molecular weight of 363.46 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-formyl-6-(3-propan-2-ylphenyl)spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid is sourced from PubChem (CID 174226573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).