N-cyclopropyl-3-iminobutanamide

C7H12N2O — CID 54206758

IUPACN-cyclopropyl-3-iminobutanamide
SMILES[H]/N=C(\C)CC(=O)NC1CC1
InChIInChI=1S/C7H12N2O/c1-5(8)4-7(10)9-6-2-3-6/h6,8H,2-4H2,1H3,(H,9,10)/b8-5+
InChIKeyPTAMAXOJHVMVEM-VMPITWQZSA-N
MW140.19 g/mol
LogP0.69
Rot. Bonds3

About N-cyclopropyl-3-iminobutanamide

N-cyclopropyl-3-iminobutanamide (PubChem CID 54206758) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-cyclopropyl-3-iminobutanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-iminobutanamide
PubChem CID54206758
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-cyclopropyl-3-iminobutanamide
SMILES[H]/N=C(\C)CC(=O)NC1CC1
InChIInChI=1S/C7H12N2O/c1-5(8)4-7(10)9-6-2-3-6/h6,8H,2-4H2,1H3,(H,9,10)/b8-5+
InChIKeyPTAMAXOJHVMVEM-VMPITWQZSA-N
XLogP0.69
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclopropyl-3-selanylidenepropanamide
CID 156598288
N-cyclopropylbutanamide
CID 3339101
N-ethyl-2-iminopropanamide
CID 21721354
3-imino-N-prop-2-ynylbutanamide
CID 53741153
3-imino-N-[4-(3-iminobutanoylamino)butyl]butanamide
CID 53788926
3-imino-N-propylbutanamide
CID 53851975
3-imino-N-propan-2-ylbutanamide
CID 54134004
2-methylimino-N-propan-2-ylpropanamide
CID 54222659
2-imino-N-propan-2-ylpropanamide
CID 54246358
N-butyl-3-iminobutanamide
CID 54455943
3-imino-N-methylbutanamide
CID 54543829
[4-(Methylamino)-4-oxobutan-2-ylidene]azanium
CID 59096564

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-iminobutanamide?
The IUPAC name of N-cyclopropyl-3-iminobutanamide (CID 54206758) is N-cyclopropyl-3-iminobutanamide.
What is the SMILES notation for N-cyclopropyl-3-iminobutanamide?
The canonical SMILES for N-cyclopropyl-3-iminobutanamide is [H]/N=C(\C)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-iminobutanamide?
The InChIKey is PTAMAXOJHVMVEM-VMPITWQZSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(8)4-7(10)9-6-2-3-6/h6,8H,2-4H2,1H3,(H,9,10)/b8-5+.
What are the key properties of N-cyclopropyl-3-iminobutanamide?
N-cyclopropyl-3-iminobutanamide has a molecular weight of 140.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-iminobutanamide is sourced from PubChem (CID 54206758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).