N-(2-oxoazepan-3-yl)formamide

C7H12N2O2 — CID 19027558

IUPACN-(2-oxoazepan-3-yl)formamide
SMILESO=CNC1CCCCNC1=O
InChIInChI=1S/C7H12N2O2/c10-5-9-6-3-1-2-4-8-7(6)11/h5-6H,1-4H2,(H,8,11)(H,9,10)
InChIKeyZHMRDIKLRQYIOX-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.60
Rot. Bonds2

About N-(2-oxoazepan-3-yl)formamide

N-(2-oxoazepan-3-yl)formamide (PubChem CID 19027558) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)formamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)formamide
PubChem CID19027558
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-(2-oxoazepan-3-yl)formamide
SMILESO=CNC1CCCCNC1=O
InChIInChI=1S/C7H12N2O2/c10-5-9-6-3-1-2-4-8-7(6)11/h5-6H,1-4H2,(H,8,11)(H,9,10)
InChIKeyZHMRDIKLRQYIOX-UHFFFAOYSA-N
XLogP-0.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

D-2-Aminohexano-6-lactam
CID 439823
L-2-aminohexano-6-lactam
CID 440599
Calmodulin
CID 25244460
2H-Azepin-2-one, 3-aminohexahydro-
CID 102463
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 11735999
N-(2-oxoazepan-3-yl)acetamide
CID 14289832
3-(dimethylamino)hexahydro-2H-azepin-2-one
CID 112206
L-alpha-Amino-epsilon-caprolactam hydrochloride
CID 12228560
hexahydro-3-(methylamino)-2H-azepin-2-one
CID 6455199
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide
CID 10563118
1-((S)-2-aminobutanoyl)-N-butylazepane-2-carboxamide
CID 44421592
(S)-2-Acetamido-6-aminohexanamide
CID 7021885

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)formamide?
The IUPAC name of N-(2-oxoazepan-3-yl)formamide (CID 19027558) is N-(2-oxoazepan-3-yl)formamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)formamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)formamide is O=CNC1CCCCNC1=O.
What is the InChIKey of N-(2-oxoazepan-3-yl)formamide?
The InChIKey is ZHMRDIKLRQYIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-5-9-6-3-1-2-4-8-7(6)11/h5-6H,1-4H2,(H,8,11)(H,9,10).
What are the key properties of N-(2-oxoazepan-3-yl)formamide?
N-(2-oxoazepan-3-yl)formamide has a molecular weight of 156.19 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)formamide is sourced from PubChem (CID 19027558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).