N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide

C12H21NO2 — CID 115764905

IUPACN-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
SMILESO=C(NC1(CO)CC1)C1CCCCCC1
InChIInChI=1S/C12H21NO2/c14-9-12(7-8-12)13-11(15)10-5-3-1-2-4-6-10/h10,14H,1-9H2,(H,13,15)
InChIKeyYXWZAKWTIQKVSJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.60
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide

N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide (PubChem CID 115764905) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
PubChem CID115764905
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
SMILESO=C(NC1(CO)CC1)C1CCCCCC1
InChIInChI=1S/C12H21NO2/c14-9-12(7-8-12)13-11(15)10-5-3-1-2-4-6-10/h10,14H,1-9H2,(H,13,15)
InChIKeyYXWZAKWTIQKVSJ-UHFFFAOYSA-N
XLogP1.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide (CID 115764905) is N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide is O=C(NC1(CO)CC1)C1CCCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide?
The InChIKey is YXWZAKWTIQKVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-9-12(7-8-12)13-11(15)10-5-3-1-2-4-6-10/h10,14H,1-9H2,(H,13,15).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide?
N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide is sourced from PubChem (CID 115764905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).