4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide

C16H27BrN2O — CID 70471648

IUPAC4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide
SMILESBr.CCCN(CCC)c1cc(=O)cc2n1CCCCC2
InChIInChI=1S/C16H26N2O.BrH/c1-3-9-17(10-4-2)16-13-15(19)12-14-8-6-5-7-11-18(14)16;/h12-13H,3-11H2,1-2H3;1H
InChIKeyMRIZZVQQOYQCPG-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.78
Rot. Bonds5

About 4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide

4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide (PubChem CID 70471648) has the molecular formula C16H27BrN2O and a molecular weight of 343.31 g/mol. Its IUPAC name is 4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide.

Molecular Properties

Compound Name4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide
PubChem CID70471648
Molecular FormulaC16H27BrN2O
Molecular Weight343.31 g/mol
Exact Mass342.13
IUPAC Name4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide
SMILESBr.CCCN(CCC)c1cc(=O)cc2n1CCCCC2
InChIInChI=1S/C16H26N2O.BrH/c1-3-9-17(10-4-2)16-13-15(19)12-14-8-6-5-7-11-18(14)16;/h12-13H,3-11H2,1-2H3;1H
InChIKeyMRIZZVQQOYQCPG-UHFFFAOYSA-N
XLogP3.78
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide?
The IUPAC name of 4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide (CID 70471648) is 4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide.
What is the SMILES notation for 4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide?
The canonical SMILES for 4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide is Br.CCCN(CCC)c1cc(=O)cc2n1CCCCC2.
What is the InChIKey of 4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide?
The InChIKey is MRIZZVQQOYQCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.BrH/c1-3-9-17(10-4-2)16-13-15(19)12-14-8-6-5-7-11-18(14)16;/h12-13H,3-11H2,1-2H3;1H.
What are the key properties of 4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide?
4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide has a molecular weight of 343.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrobromide is sourced from PubChem (CID 70471648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).