(Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol

C15H28N2O — CID 143163545

IUPAC(Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol
SMILESC/C=C(\C=C/CC)C[C@H](O)[C@@H](N)CN1CCCC1
InChIInChI=1S/C15H28N2O/c1-3-5-8-13(4-2)11-15(18)14(16)12-17-9-6-7-10-17/h4-5,8,14-15,18H,3,6-7,9-12,16H2,1-2H3/b8-5-,13-4+/t14-,15-/m0/s1
InChIKeyDPPGMEVAJOOOFD-UTMYAMFTSA-N
MW252.40 g/mol
LogP2.07
Rot. Bonds7

About (Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol

(Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol (PubChem CID 143163545) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol.

Molecular Properties

Compound Name(Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol
PubChem CID143163545
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol
SMILESC/C=C(\C=C/CC)C[C@H](O)[C@@H](N)CN1CCCC1
InChIInChI=1S/C15H28N2O/c1-3-5-8-13(4-2)11-15(18)14(16)12-17-9-6-7-10-17/h4-5,8,14-15,18H,3,6-7,9-12,16H2,1-2H3/b8-5-,13-4+/t14-,15-/m0/s1
InChIKeyDPPGMEVAJOOOFD-UTMYAMFTSA-N
XLogP2.07
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol with MolForge

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Related Compounds

1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol
CID 129313105
(2R,3R,4E)-2-amino-1-(dimethylamino)-4-ethenylhepta-4,6-dien-3-ol
CID 58420016
(2R,3R,4E,5Z)-2-amino-4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 117975823
(2R,3R)-2-amino-1-(dimethylamino)-4-ethenylhepta-4,6-dien-3-ol
CID 123741995
(3R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidin-3-ol
CID 139459466
1-[(3E,4Z)-3-ethylidene-2-(methylamino)hepta-4,6-dienyl]pyrrolidin-3-ol
CID 141968431
(3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol
CID 146260635
2-[[methyl-[(E)-pent-3-enyl]amino]methyl]pyrrolidin-3-ol
CID 172335643
Chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol
CID 177146390

Frequently Asked Questions

What is the IUPAC name of (Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol?
The IUPAC name of (Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol (CID 143163545) is (Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol.
What is the SMILES notation for (Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol?
The canonical SMILES for (Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol is C/C=C(\C=C/CC)C[C@H](O)[C@@H](N)CN1CCCC1.
What is the InChIKey of (Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol?
The InChIKey is DPPGMEVAJOOOFD-UTMYAMFTSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-5-8-13(4-2)11-15(18)14(16)12-17-9-6-7-10-17/h4-5,8,14-15,18H,3,6-7,9-12,16H2,1-2H3/b8-5-,13-4+/t14-,15-/m0/s1.
What are the key properties of (Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol?
(Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol has a molecular weight of 252.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol is sourced from PubChem (CID 143163545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).