N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C18H30N2O — CID 66469773

IUPACN-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESC=CCN(C(=O)C1CCC2CCCCC2N1)C1CCCC1
InChIInChI=1S/C18H30N2O/c1-2-13-20(15-8-4-5-9-15)18(21)17-12-11-14-7-3-6-10-16(14)19-17/h2,14-17,19H,1,3-13H2
InChIKeyFAYVQZDDGUGLTE-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.25
Rot. Bonds4

About N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66469773) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66469773
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESC=CCN(C(=O)C1CCC2CCCCC2N1)C1CCCC1
InChIInChI=1S/C18H30N2O/c1-2-13-20(15-8-4-5-9-15)18(21)17-12-11-14-7-3-6-10-16(14)19-17/h2,14-17,19H,1,3-13H2
InChIKeyFAYVQZDDGUGLTE-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66469773) is N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is C=CCN(C(=O)C1CCC2CCCCC2N1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is FAYVQZDDGUGLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-13-20(15-8-4-5-9-15)18(21)17-12-11-14-7-3-6-10-16(14)19-17/h2,14-17,19H,1,3-13H2.
What are the key properties of N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66469773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).