N-tert-butylcyclopentene-1-carboxamide

C10H17NO — CID 15647929

IUPACN-tert-butylcyclopentene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=CCCC1
InChIInChI=1S/C10H17NO/c1-10(2,3)11-9(12)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3,(H,11,12)
InChIKeyQUVUACLXOJQQOV-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.01
Rot. Bonds1

About N-tert-butylcyclopentene-1-carboxamide

N-tert-butylcyclopentene-1-carboxamide (PubChem CID 15647929) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-tert-butylcyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butylcyclopentene-1-carboxamide
PubChem CID15647929
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-tert-butylcyclopentene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=CCCC1
InChIInChI=1S/C10H17NO/c1-10(2,3)11-9(12)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3,(H,11,12)
InChIKeyQUVUACLXOJQQOV-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclopentene-1-carboxamide?
The IUPAC name of N-tert-butylcyclopentene-1-carboxamide (CID 15647929) is N-tert-butylcyclopentene-1-carboxamide.
What is the SMILES notation for N-tert-butylcyclopentene-1-carboxamide?
The canonical SMILES for N-tert-butylcyclopentene-1-carboxamide is CC(C)(C)NC(=O)C1=CCCC1.
What is the InChIKey of N-tert-butylcyclopentene-1-carboxamide?
The InChIKey is QUVUACLXOJQQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,3)11-9(12)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3,(H,11,12).
What are the key properties of N-tert-butylcyclopentene-1-carboxamide?
N-tert-butylcyclopentene-1-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclopentene-1-carboxamide is sourced from PubChem (CID 15647929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).