5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one

C14H18N2O — CID 117332792

IUPAC5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(N)C1(c2cccc3c2CCC(=O)N3)CC1
InChIInChI=1S/C14H18N2O/c1-9(15)14(7-8-14)11-3-2-4-12-10(11)5-6-13(17)16-12/h2-4,9H,5-8,15H2,1H3,(H,16,17)
InChIKeyNKPMZQVAMNWJHZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.95
Rot. Bonds2

About 5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one

5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 117332792) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID117332792
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(N)C1(c2cccc3c2CCC(=O)N3)CC1
InChIInChI=1S/C14H18N2O/c1-9(15)14(7-8-14)11-3-2-4-12-10(11)5-6-13(17)16-12/h2-4,9H,5-8,15H2,1H3,(H,16,17)
InChIKeyNKPMZQVAMNWJHZ-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one (CID 117332792) is 5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one is CC(N)C1(c2cccc3c2CCC(=O)N3)CC1.
What is the InChIKey of 5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NKPMZQVAMNWJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(15)14(7-8-14)11-3-2-4-12-10(11)5-6-13(17)16-12/h2-4,9H,5-8,15H2,1H3,(H,16,17).
What are the key properties of 5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one?
5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 117332792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).