2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol

C9H17NO — CID 143565054

IUPAC2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol
SMILESC=C(CO)NC1CC[C@H](C)C1
InChIInChI=1S/C9H17NO/c1-7-3-4-9(5-7)10-8(2)6-11/h7,9-11H,2-6H2,1H3/t7-,9?/m0/s1
InChIKeyZYFKQAIENZGAEI-JAVCKPHESA-N
MW155.24 g/mol
LogP1.27
Rot. Bonds3

About 2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol

2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol (PubChem CID 143565054) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol
PubChem CID143565054
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol
SMILESC=C(CO)NC1CC[C@H](C)C1
InChIInChI=1S/C9H17NO/c1-7-3-4-9(5-7)10-8(2)6-11/h7,9-11H,2-6H2,1H3/t7-,9?/m0/s1
InChIKeyZYFKQAIENZGAEI-JAVCKPHESA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol?
The IUPAC name of 2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol (CID 143565054) is 2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol.
What is the SMILES notation for 2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol?
The canonical SMILES for 2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol is C=C(CO)NC1CC[C@H](C)C1.
What is the InChIKey of 2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol?
The InChIKey is ZYFKQAIENZGAEI-JAVCKPHESA-N. The full InChI is InChI=1S/C9H17NO/c1-7-3-4-9(5-7)10-8(2)6-11/h7,9-11H,2-6H2,1H3/t7-,9?/m0/s1.
What are the key properties of 2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol?
2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-methylcyclopentyl]amino]prop-2-en-1-ol is sourced from PubChem (CID 143565054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).