N-hex-5-ynylcyclopropanecarboxamide

C10H15NO — CID 103758008

IUPACN-hex-5-ynylcyclopropanecarboxamide
SMILESC#CCCCCNC(=O)C1CC1
InChIInChI=1S/C10H15NO/c1-2-3-4-5-8-11-10(12)9-6-7-9/h1,9H,3-8H2,(H,11,12)
InChIKeyIKTNLMKDQAXDDL-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.32
Rot. Bonds5

About N-hex-5-ynylcyclopropanecarboxamide

N-hex-5-ynylcyclopropanecarboxamide (PubChem CID 103758008) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-hex-5-ynylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-hex-5-ynylcyclopropanecarboxamide
PubChem CID103758008
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-hex-5-ynylcyclopropanecarboxamide
SMILESC#CCCCCNC(=O)C1CC1
InChIInChI=1S/C10H15NO/c1-2-3-4-5-8-11-10(12)9-6-7-9/h1,9H,3-8H2,(H,11,12)
InChIKeyIKTNLMKDQAXDDL-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106221983
4-(pent-4-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106223186
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
N-hex-5-ynylpyrrolidine-3-carboxamide
CID 106213094
(3S)-N-hex-5-ynylpiperidine-3-carboxamide
CID 106213073
2-(hex-5-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 103829449
2-amino-N-hex-5-ynylcyclohexane-1-carboxamide
CID 106212965
3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 114158982
5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide
CID 106212939
1-cyclopentyl-3-hex-5-ynylurea
CID 103757515
oct-7-ynylcarbamic acid
CID 174966346
4-[(hex-5-ynylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 106216079

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynylcyclopropanecarboxamide?
The IUPAC name of N-hex-5-ynylcyclopropanecarboxamide (CID 103758008) is N-hex-5-ynylcyclopropanecarboxamide.
What is the SMILES notation for N-hex-5-ynylcyclopropanecarboxamide?
The canonical SMILES for N-hex-5-ynylcyclopropanecarboxamide is C#CCCCCNC(=O)C1CC1.
What is the InChIKey of N-hex-5-ynylcyclopropanecarboxamide?
The InChIKey is IKTNLMKDQAXDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-4-5-8-11-10(12)9-6-7-9/h1,9H,3-8H2,(H,11,12).
What are the key properties of N-hex-5-ynylcyclopropanecarboxamide?
N-hex-5-ynylcyclopropanecarboxamide has a molecular weight of 165.24 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynylcyclopropanecarboxamide is sourced from PubChem (CID 103758008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).