N-(cyclopropylmethyl)-N-methylformamide

C6H11NO — CID 64992857

IUPACN-(cyclopropylmethyl)-N-methylformamide
SMILESCN(C=O)CC1CC1
InChIInChI=1S/C6H11NO/c1-7(5-8)4-6-2-3-6/h5-6H,2-4H2,1H3
InChIKeyZHVSCAKFSPGVKF-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.48
Rot. Bonds3

About N-(cyclopropylmethyl)-N-methylformamide

N-(cyclopropylmethyl)-N-methylformamide (PubChem CID 64992857) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methylformamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methylformamide
PubChem CID64992857
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-(cyclopropylmethyl)-N-methylformamide
SMILESCN(C=O)CC1CC1
InChIInChI=1S/C6H11NO/c1-7(5-8)4-6-2-3-6/h5-6H,2-4H2,1H3
InChIKeyZHVSCAKFSPGVKF-UHFFFAOYSA-N
XLogP0.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methylformamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methylformamide (CID 64992857) is N-(cyclopropylmethyl)-N-methylformamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methylformamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methylformamide is CN(C=O)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methylformamide?
The InChIKey is ZHVSCAKFSPGVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-7(5-8)4-6-2-3-6/h5-6H,2-4H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methylformamide?
N-(cyclopropylmethyl)-N-methylformamide has a molecular weight of 113.16 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methylformamide is sourced from PubChem (CID 64992857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).