cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide

C15H20N2O — CID 840675

IUPACcis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide
SMILESCCC(CC)=NNC(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-12(4-2)16-17-15(18)14-10-13(14)11-8-6-5-7-9-11/h5-9,13-14H,3-4,10H2,1-2H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyJLUSZRIOVPMCCO-KBPBESRZSA-N
MW244.34 g/mol
LogP3.08
Rot. Bonds5

About cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide

cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide (PubChem CID 840675) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide
PubChem CID840675
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Namecis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide
SMILESCCC(CC)=NNC(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-12(4-2)16-17-15(18)14-10-13(14)11-8-6-5-7-9-11/h5-9,13-14H,3-4,10H2,1-2H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyJLUSZRIOVPMCCO-KBPBESRZSA-N
XLogP3.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 129360074
trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 904155
trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135920731
trans-(1S,2S)-N-[(E)-1-cyclopropylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7203116
trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide
CID 7224859
N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 5069125
2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate
CID 40524833
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863
cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide
CID 7209886
trans-(1R,2R)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353906

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide (CID 840675) is cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide is CCC(CC)=NNC(=O)[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is JLUSZRIOVPMCCO-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-12(4-2)16-17-15(18)14-10-13(14)11-8-6-5-7-9-11/h5-9,13-14H,3-4,10H2,1-2H3,(H,17,18)/t13-,14-/m0/s1.
What are the key properties of cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 840675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).