4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide

C15H25N3O2 — CID 91661763

IUPAC4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide
SMILESC=CCC(C)NC(=O)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H25N3O2/c1-3-5-12(2)16-15(20)18-9-4-8-17(10-11-18)14(19)13-6-7-13/h3,12-13H,1,4-11H2,2H3,(H,16,20)
InChIKeyUDCQPVNSJZVVBK-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.60
Rot. Bonds4

About 4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide

4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide (PubChem CID 91661763) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide
PubChem CID91661763
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide
SMILESC=CCC(C)NC(=O)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H25N3O2/c1-3-5-12(2)16-15(20)18-9-4-8-17(10-11-18)14(19)13-6-7-13/h3,12-13H,1,4-11H2,2H3,(H,16,20)
InChIKeyUDCQPVNSJZVVBK-UHFFFAOYSA-N
XLogP1.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104861496
N-[(2R)-but-3-yn-2-yl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99827132
N-[1-(4-chlorophenyl)ethyl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802689
N-pent-4-en-2-ylcyclopropanecarboxamide
CID 115631347
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid
CID 113466834
4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide
CID 99596800
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109144455
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
2,2-dimethyl-N-[(2R)-pent-4-en-2-yl]pyrrolidine-1-carboxamide
CID 99840093
2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide
CID 99840092
4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811347

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide (CID 91661763) is 4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide is C=CCC(C)NC(=O)N1CCCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide?
The InChIKey is UDCQPVNSJZVVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-5-12(2)16-15(20)18-9-4-8-17(10-11-18)14(19)13-6-7-13/h3,12-13H,1,4-11H2,2H3,(H,16,20).
What are the key properties of 4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide?
4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 91661763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).