(3S)-3-(prop-2-enylamino)butan-1-ol

C7H15NO — CID 170109921

IUPAC(3S)-3-(prop-2-enylamino)butan-1-ol
SMILESC=CCN[C@@H](C)CCO
InChIInChI=1S/C7H15NO/c1-3-5-8-7(2)4-6-9/h3,7-9H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyMPZNQFGMMMXNEK-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.53
Rot. Bonds5

About (3S)-3-(prop-2-enylamino)butan-1-ol

(3S)-3-(prop-2-enylamino)butan-1-ol (PubChem CID 170109921) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S)-3-(prop-2-enylamino)butan-1-ol.

Molecular Properties

Compound Name(3S)-3-(prop-2-enylamino)butan-1-ol
PubChem CID170109921
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S)-3-(prop-2-enylamino)butan-1-ol
SMILESC=CCN[C@@H](C)CCO
InChIInChI=1S/C7H15NO/c1-3-5-8-7(2)4-6-9/h3,7-9H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyMPZNQFGMMMXNEK-ZETCQYMHSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(prop-2-enylamino)butan-1-ol?
The IUPAC name of (3S)-3-(prop-2-enylamino)butan-1-ol (CID 170109921) is (3S)-3-(prop-2-enylamino)butan-1-ol.
What is the SMILES notation for (3S)-3-(prop-2-enylamino)butan-1-ol?
The canonical SMILES for (3S)-3-(prop-2-enylamino)butan-1-ol is C=CCN[C@@H](C)CCO.
What is the InChIKey of (3S)-3-(prop-2-enylamino)butan-1-ol?
The InChIKey is MPZNQFGMMMXNEK-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-5-8-7(2)4-6-9/h3,7-9H,1,4-6H2,2H3/t7-/m0/s1.
What are the key properties of (3S)-3-(prop-2-enylamino)butan-1-ol?
(3S)-3-(prop-2-enylamino)butan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(prop-2-enylamino)butan-1-ol is sourced from PubChem (CID 170109921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).