(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol

C10H19NO — CID 134835169

IUPAC(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
SMILESC=CCN[C@@H](CC=C)[C@H](O)CC
InChIInChI=1S/C10H19NO/c1-4-7-9(10(12)6-3)11-8-5-2/h4-5,9-12H,1-2,6-8H2,3H3/t9-,10+/m0/s1
InChIKeyLQQAFEYGVSPOGC-VHSXEESVSA-N
MW169.27 g/mol
LogP1.48
Rot. Bonds7

About (3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol

(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol (PubChem CID 134835169) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
PubChem CID134835169
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
SMILESC=CCN[C@@H](CC=C)[C@H](O)CC
InChIInChI=1S/C10H19NO/c1-4-7-9(10(12)6-3)11-8-5-2/h4-5,9-12H,1-2,6-8H2,3H3/t9-,10+/m0/s1
InChIKeyLQQAFEYGVSPOGC-VHSXEESVSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.48
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 (3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol?
The IUPAC name of (3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol (CID 134835169) is (3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol.
What is the SMILES notation for (3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol?
The canonical SMILES for (3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol is C=CCN[C@@H](CC=C)[C@H](O)CC.
What is the InChIKey of (3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol?
The InChIKey is LQQAFEYGVSPOGC-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-7-9(10(12)6-3)11-8-5-2/h4-5,9-12H,1-2,6-8H2,3H3/t9-,10+/m0/s1.
What are the key properties of (3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol?
(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol is sourced from PubChem (CID 134835169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).