N-cyclopropyl-N-propan-2-ylformamide

C7H13NO — CID 10630497

IUPACN-cyclopropyl-N-propan-2-ylformamide
SMILESCC(C)N(C=O)C1CC1
InChIInChI=1S/C7H13NO/c1-6(2)8(5-9)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyFPDUZBCEKZLTKE-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.02
Rot. Bonds3

About N-cyclopropyl-N-propan-2-ylformamide

N-cyclopropyl-N-propan-2-ylformamide (PubChem CID 10630497) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-cyclopropyl-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-cyclopropyl-N-propan-2-ylformamide
PubChem CID10630497
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-cyclopropyl-N-propan-2-ylformamide
SMILESCC(C)N(C=O)C1CC1
InChIInChI=1S/C7H13NO/c1-6(2)8(5-9)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyFPDUZBCEKZLTKE-UHFFFAOYSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.02
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-cyclopropyl-N-propan-2-ylformamide?
The IUPAC name of N-cyclopropyl-N-propan-2-ylformamide (CID 10630497) is N-cyclopropyl-N-propan-2-ylformamide.
What is the SMILES notation for N-cyclopropyl-N-propan-2-ylformamide?
The canonical SMILES for N-cyclopropyl-N-propan-2-ylformamide is CC(C)N(C=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-propan-2-ylformamide?
The InChIKey is FPDUZBCEKZLTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)8(5-9)7-3-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of N-cyclopropyl-N-propan-2-ylformamide?
N-cyclopropyl-N-propan-2-ylformamide has a molecular weight of 127.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-propan-2-ylformamide is sourced from PubChem (CID 10630497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).