N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide

C10H16N2O — CID 90940234

IUPACN-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CN=CCCC1
InChIInChI=1S/C10H16N2O/c1-9(13)12-7-5-10-4-2-3-6-11-8-10/h6,8H,2-5,7H2,1H3,(H,12,13)
InChIKeyANULKJPNPCRADI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.65
Rot. Bonds3

About N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide

N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide (PubChem CID 90940234) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide
PubChem CID90940234
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CN=CCCC1
InChIInChI=1S/C10H16N2O/c1-9(13)12-7-5-10-4-2-3-6-11-8-10/h6,8H,2-5,7H2,1H3,(H,12,13)
InChIKeyANULKJPNPCRADI-UHFFFAOYSA-N
XLogP1.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 59561910
N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide
CID 91522023
4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide
CID 123553028
3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide
CID 123749557
4-amino-N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]butanamide
CID 124017053
4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 146841645
6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide
CID 149138375
N-[2-(3H-pyrrol-4-yl)ethyl]propanamide
CID 159709332
N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide
CID 134859576

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide (CID 90940234) is N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide is CC(=O)NCCC1=CN=CCCC1.
What is the InChIKey of N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide?
The InChIKey is ANULKJPNPCRADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(13)12-7-5-10-4-2-3-6-11-8-10/h6,8H,2-5,7H2,1H3,(H,12,13).
What are the key properties of N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide?
N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide has a molecular weight of 180.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide is sourced from PubChem (CID 90940234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).