cyclohepten-1-yl(pyrrolidin-2-yl)methanol

C12H21NO — CID 106651723

IUPACcyclohepten-1-yl(pyrrolidin-2-yl)methanol
SMILESOC(C1=CCCCCC1)C1CCCN1
InChIInChI=1S/C12H21NO/c14-12(11-8-5-9-13-11)10-6-3-1-2-4-7-10/h6,11-14H,1-5,7-9H2
InChIKeyDGVHQBONENKJIB-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.99
Rot. Bonds2

About cyclohepten-1-yl(pyrrolidin-2-yl)methanol

cyclohepten-1-yl(pyrrolidin-2-yl)methanol (PubChem CID 106651723) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is cyclohepten-1-yl(pyrrolidin-2-yl)methanol.

Molecular Properties

Compound Namecyclohepten-1-yl(pyrrolidin-2-yl)methanol
PubChem CID106651723
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namecyclohepten-1-yl(pyrrolidin-2-yl)methanol
SMILESOC(C1=CCCCCC1)C1CCCN1
InChIInChI=1S/C12H21NO/c14-12(11-8-5-9-13-11)10-6-3-1-2-4-7-10/h6,11-14H,1-5,7-9H2
InChIKeyDGVHQBONENKJIB-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-pyrrolidin-2-yloctadec-4-ene-1,3-diol
CID 58730213
(E)-1-pyrrolidin-2-ylhexadec-4-ene-1,3-diol
CID 60028750
1-Pyrrolidin-2-yloctadec-4-ene-1,3-diol
CID 72404488
1-Pyrrolidin-2-ylhexadec-4-ene-1,3-diol
CID 72626444
[5-[(4-Aminocyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol
CID 123158820
(1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol
CID 155010717
(2E,3Z)-1-(azepan-2-yl)-2-ethylidenehexa-3,5-dien-1-ol
CID 155088663
8-Azabicyclo[3.2.1]oct-3-en-2-ol
CID 164122365
[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol
CID 166839766
2-ethyl-5-(propan-2-ylamino)-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-ol
CID 177955420
[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol
CID 3037388
1-(9-Azabicyclo[4.2.1]non-2-en-2-yl)ethanol
CID 14408189

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(pyrrolidin-2-yl)methanol?
The IUPAC name of cyclohepten-1-yl(pyrrolidin-2-yl)methanol (CID 106651723) is cyclohepten-1-yl(pyrrolidin-2-yl)methanol.
What is the SMILES notation for cyclohepten-1-yl(pyrrolidin-2-yl)methanol?
The canonical SMILES for cyclohepten-1-yl(pyrrolidin-2-yl)methanol is OC(C1=CCCCCC1)C1CCCN1.
What is the InChIKey of cyclohepten-1-yl(pyrrolidin-2-yl)methanol?
The InChIKey is DGVHQBONENKJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12(11-8-5-9-13-11)10-6-3-1-2-4-7-10/h6,11-14H,1-5,7-9H2.
What are the key properties of cyclohepten-1-yl(pyrrolidin-2-yl)methanol?
cyclohepten-1-yl(pyrrolidin-2-yl)methanol has a molecular weight of 195.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(pyrrolidin-2-yl)methanol is sourced from PubChem (CID 106651723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).