N-(cyclopropylmethyl)-N-ethylformamide

C7H13NO — CID 64992588

IUPACN-(cyclopropylmethyl)-N-ethylformamide
SMILESCCN(C=O)CC1CC1
InChIInChI=1S/C7H13NO/c1-2-8(6-9)5-7-3-4-7/h6-7H,2-5H2,1H3
InChIKeyZGOXMVQKQGVDNI-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.87
Rot. Bonds4

About N-(cyclopropylmethyl)-N-ethylformamide

N-(cyclopropylmethyl)-N-ethylformamide (PubChem CID 64992588) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethylformamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethylformamide
PubChem CID64992588
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-(cyclopropylmethyl)-N-ethylformamide
SMILESCCN(C=O)CC1CC1
InChIInChI=1S/C7H13NO/c1-2-8(6-9)5-7-3-4-7/h6-7H,2-5H2,1H3
InChIKeyZGOXMVQKQGVDNI-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.87
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-ethylformamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethylformamide (CID 64992588) is N-(cyclopropylmethyl)-N-ethylformamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethylformamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethylformamide is CCN(C=O)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethylformamide?
The InChIKey is ZGOXMVQKQGVDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-8(6-9)5-7-3-4-7/h6-7H,2-5H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethylformamide?
N-(cyclopropylmethyl)-N-ethylformamide has a molecular weight of 127.19 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethylformamide is sourced from PubChem (CID 64992588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).