[1-(but-3-en-2-ylamino)cyclopropyl]methanol

C8H15NO — CID 91485572

IUPAC[1-(but-3-en-2-ylamino)cyclopropyl]methanol
SMILESC=CC(C)NC1(CO)CC1
InChIInChI=1S/C8H15NO/c1-3-7(2)9-8(6-10)4-5-8/h3,7,9-10H,1,4-6H2,2H3
InChIKeyPQDRSNKVEPOUBQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds4

About [1-(but-3-en-2-ylamino)cyclopropyl]methanol

[1-(but-3-en-2-ylamino)cyclopropyl]methanol (PubChem CID 91485572) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [1-(but-3-en-2-ylamino)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(but-3-en-2-ylamino)cyclopropyl]methanol
PubChem CID91485572
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[1-(but-3-en-2-ylamino)cyclopropyl]methanol
SMILESC=CC(C)NC1(CO)CC1
InChIInChI=1S/C8H15NO/c1-3-7(2)9-8(6-10)4-5-8/h3,7,9-10H,1,4-6H2,2H3
InChIKeyPQDRSNKVEPOUBQ-UHFFFAOYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
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 [1-(but-3-en-2-ylamino)cyclopropyl]methanol?
The IUPAC name of [1-(but-3-en-2-ylamino)cyclopropyl]methanol (CID 91485572) is [1-(but-3-en-2-ylamino)cyclopropyl]methanol.
What is the SMILES notation for [1-(but-3-en-2-ylamino)cyclopropyl]methanol?
The canonical SMILES for [1-(but-3-en-2-ylamino)cyclopropyl]methanol is C=CC(C)NC1(CO)CC1.
What is the InChIKey of [1-(but-3-en-2-ylamino)cyclopropyl]methanol?
The InChIKey is PQDRSNKVEPOUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-7(2)9-8(6-10)4-5-8/h3,7,9-10H,1,4-6H2,2H3.
What are the key properties of [1-(but-3-en-2-ylamino)cyclopropyl]methanol?
[1-(but-3-en-2-ylamino)cyclopropyl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(but-3-en-2-ylamino)cyclopropyl]methanol is sourced from PubChem (CID 91485572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).