1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide

C15H16N2O — CID 113209076

IUPAC1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H16N2O/c1-2-9-16-14(18)15(7-8-15)12-10-17-13-6-4-3-5-11(12)13/h2-6,10,17H,1,7-9H2,(H,16,18)
InChIKeyCXBKSAMPQOLIRV-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.50
Rot. Bonds4

About 1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide

1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 113209076) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide
PubChem CID113209076
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H16N2O/c1-2-9-16-14(18)15(7-8-15)12-10-17-13-6-4-3-5-11(12)13/h2-6,10,17H,1,7-9H2,(H,16,18)
InChIKeyCXBKSAMPQOLIRV-UHFFFAOYSA-N
XLogP2.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209079
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113209181
1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 113209182
1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 113209224
1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide
CID 110605839
N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209251
1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255
N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209170
1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide
CID 110486813

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide?
The IUPAC name of 1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide (CID 113209076) is 1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide is C=CCNC(=O)C1(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide?
The InChIKey is CXBKSAMPQOLIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-9-16-14(18)15(7-8-15)12-10-17-13-6-4-3-5-11(12)13/h2-6,10,17H,1,7-9H2,(H,16,18).
What are the key properties of 1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide?
1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 113209076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).