N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide

C11H16N2O — CID 146416634

IUPACN-[(2-methyl-3H-azepin-7-yl)methyl]propanamide
SMILESCCC(=O)NCC1=CC=CCC(C)=N1
InChIInChI=1S/C11H16N2O/c1-3-11(14)12-8-10-7-5-4-6-9(2)13-10/h4-5,7H,3,6,8H2,1-2H3,(H,12,14)
InChIKeyXVZWZQKSLPCARA-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.82
Rot. Bonds3

About N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide

N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide (PubChem CID 146416634) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-methyl-3H-azepin-7-yl)methyl]propanamide
PubChem CID146416634
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[(2-methyl-3H-azepin-7-yl)methyl]propanamide
SMILESCCC(=O)NCC1=CC=CCC(C)=N1
InChIInChI=1S/C11H16N2O/c1-3-11(14)12-8-10-7-5-4-6-9(2)13-10/h4-5,7H,3,6,8H2,1-2H3,(H,12,14)
InChIKeyXVZWZQKSLPCARA-UHFFFAOYSA-N
XLogP1.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide?
The IUPAC name of N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide (CID 146416634) is N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide.
What is the SMILES notation for N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide?
The canonical SMILES for N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide is CCC(=O)NCC1=CC=CCC(C)=N1.
What is the InChIKey of N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide?
The InChIKey is XVZWZQKSLPCARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-11(14)12-8-10-7-5-4-6-9(2)13-10/h4-5,7H,3,6,8H2,1-2H3,(H,12,14).
What are the key properties of N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide?
N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide has a molecular weight of 192.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3H-azepin-7-yl)methyl]propanamide is sourced from PubChem (CID 146416634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).