(1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol

C14H23NO — CID 155010717

IUPAC(1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol
SMILESC=C(/C=C(/C)C=C(C)C)[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C14H23NO/c1-10(2)8-11(3)9-12(4)14(16)13-6-5-7-15-13/h8-9,13-16H,4-7H2,1-3H3/b11-9-/t13-,14+/m0/s1
InChIKeyFWYBGFOMNATUDQ-YHKNGJLMSA-N
MW221.34 g/mol
LogP2.57
Rot. Bonds4

About (1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol

(1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol (PubChem CID 155010717) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol.

Molecular Properties

Compound Name(1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol
PubChem CID155010717
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol
SMILESC=C(/C=C(/C)C=C(C)C)[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C14H23NO/c1-10(2)8-11(3)9-12(4)14(16)13-6-5-7-15-13/h8-9,13-16H,4-7H2,1-3H3/b11-9-/t13-,14+/m0/s1
InChIKeyFWYBGFOMNATUDQ-YHKNGJLMSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol?
The IUPAC name of (1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol (CID 155010717) is (1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol.
What is the SMILES notation for (1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol?
The canonical SMILES for (1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol is C=C(/C=C(/C)C=C(C)C)[C@@H](O)[C@@H]1CCCN1.
What is the InChIKey of (1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol?
The InChIKey is FWYBGFOMNATUDQ-YHKNGJLMSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)8-11(3)9-12(4)14(16)13-6-5-7-15-13/h8-9,13-16H,4-7H2,1-3H3/b11-9-/t13-,14+/m0/s1.
What are the key properties of (1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol?
(1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol is sourced from PubChem (CID 155010717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).