N-(1-bicyclo[1.1.0]butanyl)-N-methylformamide

C6H9NO — CID 153388154

IUPACN-(1-bicyclo[1.1.0]butanyl)-N-methylformamide
SMILESCN(C=O)C12CC1C2
InChIInChI=1S/C6H9NO/c1-7(4-8)6-2-5(6)3-6/h4-5H,2-3H2,1H3
InChIKeyUAZSNCRHYZRSHF-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.24
Rot. Bonds2

About N-(1-bicyclo[1.1.0]butanyl)-N-methylformamide

N-(1-bicyclo[1.1.0]butanyl)-N-methylformamide (PubChem CID 153388154) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.0]butanyl)-N-methylformamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.0]butanyl)-N-methylformamide
PubChem CID153388154
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-(1-bicyclo[1.1.0]butanyl)-N-methylformamide
SMILESCN(C=O)C12CC1C2
InChIInChI=1S/C6H9NO/c1-7(4-8)6-2-5(6)3-6/h4-5H,2-3H2,1H3
InChIKeyUAZSNCRHYZRSHF-UHFFFAOYSA-N
XLogP0.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.24
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-(1-bicyclo[1.1.0]butanyl)-N-methylformamide?
The IUPAC name of N-(1-bicyclo[1.1.0]butanyl)-N-methylformamide (CID 153388154) is N-(1-bicyclo[1.1.0]butanyl)-N-methylformamide.
What is the SMILES notation for N-(1-bicyclo[1.1.0]butanyl)-N-methylformamide?
The canonical SMILES for N-(1-bicyclo[1.1.0]butanyl)-N-methylformamide is CN(C=O)C12CC1C2.
What is the InChIKey of N-(1-bicyclo[1.1.0]butanyl)-N-methylformamide?
The InChIKey is UAZSNCRHYZRSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-7(4-8)6-2-5(6)3-6/h4-5H,2-3H2,1H3.
What are the key properties of N-(1-bicyclo[1.1.0]butanyl)-N-methylformamide?
N-(1-bicyclo[1.1.0]butanyl)-N-methylformamide has a molecular weight of 111.14 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.0]butanyl)-N-methylformamide is sourced from PubChem (CID 153388154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).