(pent-2-enylamino)methanol

C6H13NO — CID 173057747

IUPAC(pent-2-enylamino)methanol
SMILESCCC=CCNCO
InChIInChI=1S/C6H13NO/c1-2-3-4-5-7-6-8/h3-4,7-8H,2,5-6H2,1H3
InChIKeyJVVOZUNKVAHSBI-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.49
Rot. Bonds4

About (pent-2-enylamino)methanol

(pent-2-enylamino)methanol (PubChem CID 173057747) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (pent-2-enylamino)methanol.

Molecular Properties

Compound Name(pent-2-enylamino)methanol
PubChem CID173057747
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(pent-2-enylamino)methanol
SMILESCCC=CCNCO
InChIInChI=1S/C6H13NO/c1-2-3-4-5-7-6-8/h3-4,7-8H,2,5-6H2,1H3
InChIKeyJVVOZUNKVAHSBI-UHFFFAOYSA-N
XLogP0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (pent-2-enylamino)methanol?
The IUPAC name of (pent-2-enylamino)methanol (CID 173057747) is (pent-2-enylamino)methanol.
What is the SMILES notation for (pent-2-enylamino)methanol?
The canonical SMILES for (pent-2-enylamino)methanol is CCC=CCNCO.
What is the InChIKey of (pent-2-enylamino)methanol?
The InChIKey is JVVOZUNKVAHSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-3-4-5-7-6-8/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of (pent-2-enylamino)methanol?
(pent-2-enylamino)methanol has a molecular weight of 115.18 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (pent-2-enylamino)methanol is sourced from PubChem (CID 173057747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).