N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide

C15H17NO — CID 57367389

IUPACN-(1-phenylcyclopentyl)-N-prop-2-ynylformamide
SMILESC#CCN(C=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C15H17NO/c1-2-12-16(13-17)15(10-6-7-11-15)14-8-4-3-5-9-14/h1,3-5,8-9,13H,6-7,10-12H2
InChIKeyCUOODLMDLSGQHO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.55
Rot. Bonds4

About N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide

N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide (PubChem CID 57367389) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide.

Molecular Properties

Compound NameN-(1-phenylcyclopentyl)-N-prop-2-ynylformamide
PubChem CID57367389
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-(1-phenylcyclopentyl)-N-prop-2-ynylformamide
SMILESC#CCN(C=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C15H17NO/c1-2-12-16(13-17)15(10-6-7-11-15)14-8-4-3-5-9-14/h1,3-5,8-9,13H,6-7,10-12H2
InChIKeyCUOODLMDLSGQHO-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide?
The IUPAC name of N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide (CID 57367389) is N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide.
What is the SMILES notation for N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide?
The canonical SMILES for N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide is C#CCN(C=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide?
The InChIKey is CUOODLMDLSGQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-12-16(13-17)15(10-6-7-11-15)14-8-4-3-5-9-14/h1,3-5,8-9,13H,6-7,10-12H2.
What are the key properties of N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide?
N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide has a molecular weight of 227.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclopentyl)-N-prop-2-ynylformamide is sourced from PubChem (CID 57367389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).