2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde

C17H13NO2 — CID 164735014

IUPAC2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde
SMILESO=Cc1ccc2c(c1)C1(CC1)C(=O)N2c1ccccc1
InChIInChI=1S/C17H13NO2/c19-11-12-6-7-15-14(10-12)17(8-9-17)16(20)18(15)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2
InChIKeyGXWMDTNGQODLBG-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.21
Rot. Bonds2

About 2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde

2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde (PubChem CID 164735014) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde.

Molecular Properties

Compound Name2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde
PubChem CID164735014
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde
SMILESO=Cc1ccc2c(c1)C1(CC1)C(=O)N2c1ccccc1
InChIInChI=1S/C17H13NO2/c19-11-12-6-7-15-14(10-12)17(8-9-17)16(20)18(15)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2
InChIKeyGXWMDTNGQODLBG-UHFFFAOYSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one
CID 178070297
8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598541
carbonyl difluoride;5'-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]-1'-phenylspiro[cyclopentane-1,3'-indole]-2'-one
CID 165052573
5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione
CID 171843834
1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carbaldehyde
CID 88934886
1'-(cyclopropylmethyl)-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 134788995
6'-oxo-7'-(4-phenoxyphenyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-carbaldehyde
CID 175988838
2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde
CID 90105604
2-[[7-[(1,3-dioxoinden-2-ylidene)methyl]-10-phenylspiro[acridine-9,9'-fluorene]-2-yl]methylidene]indene-1,3-dione
CID 155430396
5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride
CID 118741579
4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride
CID 146405544
2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154970614

Frequently Asked Questions

What is the IUPAC name of 2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde?
The IUPAC name of 2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde (CID 164735014) is 2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde.
What is the SMILES notation for 2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde?
The canonical SMILES for 2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde is O=Cc1ccc2c(c1)C1(CC1)C(=O)N2c1ccccc1.
What is the InChIKey of 2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde?
The InChIKey is GXWMDTNGQODLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-11-12-6-7-15-14(10-12)17(8-9-17)16(20)18(15)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2.
What are the key properties of 2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde?
2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde has a molecular weight of 263.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde is sourced from PubChem (CID 164735014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).