N-cyclopropyl-N-pent-3-ynylbenzamide

C15H17NO — CID 76764593

IUPACN-cyclopropyl-N-pent-3-ynylbenzamide
SMILESCC#CCCN(C(=O)c1ccccc1)C1CC1
InChIInChI=1S/C15H17NO/c1-2-3-7-12-16(14-10-11-14)15(17)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1H3
InChIKeyVYMQWOZAVGZYKE-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.70
Rot. Bonds4

About N-cyclopropyl-N-pent-3-ynylbenzamide

N-cyclopropyl-N-pent-3-ynylbenzamide (PubChem CID 76764593) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-cyclopropyl-N-pent-3-ynylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-pent-3-ynylbenzamide
PubChem CID76764593
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-cyclopropyl-N-pent-3-ynylbenzamide
SMILESCC#CCCN(C(=O)c1ccccc1)C1CC1
InChIInChI=1S/C15H17NO/c1-2-3-7-12-16(14-10-11-14)15(17)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1H3
InChIKeyVYMQWOZAVGZYKE-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-pent-3-ynylbenzamide?
The IUPAC name of N-cyclopropyl-N-pent-3-ynylbenzamide (CID 76764593) is N-cyclopropyl-N-pent-3-ynylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-pent-3-ynylbenzamide?
The canonical SMILES for N-cyclopropyl-N-pent-3-ynylbenzamide is CC#CCCN(C(=O)c1ccccc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-pent-3-ynylbenzamide?
The InChIKey is VYMQWOZAVGZYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-3-7-12-16(14-10-11-14)15(17)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1H3.
What are the key properties of N-cyclopropyl-N-pent-3-ynylbenzamide?
N-cyclopropyl-N-pent-3-ynylbenzamide has a molecular weight of 227.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-pent-3-ynylbenzamide is sourced from PubChem (CID 76764593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).